3-[(3,4-dimethylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[(3,4-dimethylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[(3,4-dimethylphenyl)methylsulfanyl]propanoic acid CAS Name: 3-[(3,4-dimethylphenyl)methylthio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(3,4-dimethylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[(3,4-dimethylbenzyl)thio]propionic acid Formula: C17H25NO4S MolecularWeight: 339.4497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CSCC(C(=O)O)NC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)CSCC(C(=O)O)NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C17H25NO4S/c1-11-6-7-13(8-12(11)2)9-23-10-14(15(19)20)18-16(21)22-17(3,4)5/h6-8,14H,9-10H2,1-5H3,(H,18,21)(H,19,20)